Record No. 1 of 1

ID1256
NameAtropine
Pubchem ID656678
KEGG IDD02069
SourceAtropa belladonna
TypeNatural
FunctionAntimuscarinic
Drug Like PropertiesNo
Molecular Weight694.83
Exact mass694.313531
Molecular formulaC34H50N2O11S
XlogPN/A
Topological Polar Surface Area175
H-Bond Donor5
H-Bond Acceptor13
Rotational Bond Count10
IUPAC Name[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]3-hydroxy-2-phenylpropanoate; sulfuric acid; hydrate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
Isomeric SMILECN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
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